基本情報
- CAS
188112-84-7- 標準SMILES
CCCCCCCCCC1C[C@@H]2CC[C@H]3[C@@H](C(=O)OC(C)CCCCCCC[C@@H]4C[C@@H]5CC[C@H]6C[C@@H](C)N(O)C(=N4)N56)[C@@H](C)N=C(N1)N23- InChIKey
FMRPIQGALIIBOX-QHMCLULKSA-N- 分子式
- C39H68N6O3
- 平均分子量
- 669 g/mol
- 単同位体質量
- 668.53529005
概要
Batzelladine G has been reported in Batzella with data available.
名称と識別子
- 優先名称
- Batzelladine G
- IUPAC
- 9-[(1S,4S,6R,10R)-9-hydroxy-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-en-6-yl]nonan-2-yl (1S,4S,5S,6R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate
名称と別名
Batzelladine G188112-84-78-((2aS,4R,7R,8aS)-6-Hydroxy-7-methyl-2,2a,3,4,6,7,8,8a-octahydro-1H-5,6,8b-triazaacenaphthylen-4-yl)-1-methyloctyl (2aS,3S,4R,8aS)-4-methyl-7-nonyl-2,2a,3,4,6,7,8,8a-octahydro-1H-5,6,8b-triazaacenaphthylene-3-carboxylate8-[(2aS,4R,7R,8aS)-6-Hydroxy-7-methyl-2,2a,3,4,6,7,8,8a-octahydro-1H-5,6,8b-triazaacenaphthylen-4-yl]-1-methyloctyl (2aS,3S,4R,8aS)-4-methyl-7-nonyl-2,2a,3,4,6,7,8,8a-octahydro-1H-5,6,8b-triazaacenaphthylene-3-carboxylate9-((1S,4S,6R,10R)-9-hydroxy-10-methyl-7,9,12-triazatricyclo(6.3.1.04,12)dodec-7-en-6-yl)nonan-2-yl (1S,4S,5S,6R)-6-methyl-10-nonyl-7,9,12-triazatricyclo(6.3.1.04,12)dodec-7-ene-5-carboxylate9-((1S,4S,6R,10R)-9-hydroxy-10-methyl-7,9,12-triazatricyclo(6.3.1.04,12)dodec-7-en-6-yl)nonan-2-yl (1S,4S,6R,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo(6.3.1.04,12)dodec-7-ene-5-carboxylate9-[(1S,4S,6R,10R)-9-hydroxy-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-en-6-yl]nonan-2-yl (1S,4S,5S,6R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate9-[(1S,4S,6R,10R)-9-hydroxy-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-en-6-yl]nonan-2-yl (1S,4S,6R,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate
物性
構造計算による物性
- XLogP
- 8.6
- 極性表面積
- 93 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 19
- 重原子数
- 48
- 形式電荷
- 0
- 複雑度
- 1,120
関連反応
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化合物ノート
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